#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfs s GLN 2 N 0.00 0.61 -0.87 2.12 -2.07 -1.26 -4.91 119.66 113.27 1mfs s GLN 2 Ca 0.00 1.03 -0.11 0.00 -1.82 0.00 0.00 55.36 54.47 1mfs s GLN 2 Cb 0.00 0.13 0.11 0.00 -1.09 0.00 0.00 33.01 32.16 1mfs s GLN 2 CO 0.00 -0.12 0.28 0.36 -1.32 0.00 0.00 175.29 174.48 1mfs n LYS 3 N 4.04 -2.04 -1.31 9.60 0.00 -1.26 -4.68 118.16 122.50 1mfs n LYS 3 Ca -0.19 0.09 -0.48 0.00 -0.00 0.00 0.00 58.31 57.72 1mfs n LYS 3 Cb 0.58 -4.63 -0.05 0.00 -0.00 0.00 0.00 35.03 30.93 1mfs n LYS 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mfs n GLY 4 N -0.77 -0.95 3.08 2.58 0.00 -1.26 -4.94 105.19 102.93 1mfs n GLY 4 Ca 0.05 0.49 -0.32 0.00 0.00 0.00 0.00 46.02 46.24 1mfs n GLY 4 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mfs s ASN 5 N -0.48 3.02 0.07 1.61 -0.87 -1.26 -4.94 114.94 112.10 1mfs s ASN 5 Ca 0.70 -0.62 0.00 0.00 -1.57 0.00 0.00 52.86 51.37 1mfs s ASN 5 Cb -0.99 -1.38 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 1mfs s ASN 5 CO 0.51 -0.03 0.00 2.22 -2.57 0.00 0.00 177.10 177.24 1mfs n PHE 6 N 4.67 -0.46 -0.38 2.20 1.16 -1.26 -4.71 117.46 118.68 1mfs n PHE 6 Ca -0.19 0.00 -0.00 0.00 -1.87 0.00 0.00 57.45 55.39 1mfs n PHE 6 Cb 0.50 0.02 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 1mfs n PHE 6 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 1mfs n ARG 7 N -0.06 -1.24 -0.55 3.97 0.00 -1.26 -4.51 116.66 113.01 1mfs n ARG 7 Ca 0.00 -0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.92 1mfs n ARG 7 Cb 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.43 1mfs n ARG 7 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1mfs n ASN 8 N -3.00 -3.21 -2.54 2.89 5.15 -1.26 -5.00 115.26 108.29 1mfs n ASN 8 Ca 0.00 0.43 -0.06 0.00 -0.60 0.00 0.00 54.58 54.36 1mfs n ASN 8 Cb 0.00 -1.80 0.01 0.00 -0.53 0.00 0.00 39.78 37.46 1mfs n ASN 8 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mfs n GLN 9 N -3.11 -1.78 0.00 1.20 1.13 -1.26 -4.06 117.38 109.50 1mfs n GLN 9 Ca -0.02 1.72 0.00 0.00 -1.94 0.00 0.00 57.00 56.76 1mfs n GLN 9 Cb 0.26 -4.70 0.00 0.00 0.11 0.00 0.00 30.24 25.91 1mfs n GLN 9 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1mfs n ARG 10 N -0.41 0.00 0.02 -1.09 0.63 -1.26 -4.17 116.66 110.37 1mfs n ARG 10 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1mfs n ARG 10 Cb 0.36 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.27 1mfs n ARG 10 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1mfs n LYS 11 N 0.00 0.00 0.00 -0.14 5.02 -1.26 -5.06 118.16 116.72 1mfs n LYS 11 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1mfs n LYS 11 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1mfs n LYS 11 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1mfs n THR 12 N -2.15 0.00 -1.22 -0.18 5.66 -1.17 -4.41 114.28 110.82 1mfs n THR 12 Ca 0.00 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.06 1mfs n THR 12 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1mfs n THR 12 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1mfs n VAL 13 N 0.00 0.00 -3.77 1.08 0.24 -1.26 -0.35 118.33 114.27 1mfs n VAL 13 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1mfs n VAL 13 Cb 0.00 -0.16 -0.13 0.00 -1.47 0.00 0.00 33.84 32.08 1mfs n VAL 13 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1mfs s LYS 14 N -1.07 0.18 -0.30 7.34 -2.85 -1.19 -1.03 119.74 120.83 1mfs s LYS 14 Ca 0.00 0.36 -0.29 0.00 -1.00 0.00 0.00 55.97 55.04 1mfs s LYS 14 Cb 0.00 -0.03 0.01 0.00 -2.06 0.00 0.00 37.83 35.76 1mfs s LYS 14 CO 0.00 -0.10 1.07 0.00 0.10 0.00 0.00 175.35 176.42 1mfs n PHE 16 N 6.74 0.16 -0.13 0.00 7.35 -1.26 0.13 117.46 130.44 1mfs n PHE 16 Ca 0.12 -0.08 -0.28 0.00 -0.76 0.00 0.00 57.45 56.45 1mfs n PHE 16 Cb 0.47 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.20 1mfs n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1mfs n ASN 17 N -0.16 1.95 -0.10 -2.13 2.85 -1.26 -4.70 115.26 111.72 1mfs n ASN 17 Ca 0.05 0.34 -0.17 0.00 -0.11 0.00 0.00 54.58 54.69 1mfs n ASN 17 Cb 0.11 -0.82 -0.13 0.00 1.24 0.00 0.00 39.78 40.18 1mfs n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mfs n GLY 19 N 2.13 0.89 3.87 0.00 0.00 0.12 -5.07 105.19 107.13 1mfs n GLY 19 Ca -0.41 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1mfs n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfs s LYS 20 N -0.74 2.99 -0.13 1.61 1.02 -1.22 -4.75 119.74 118.52 1mfs s LYS 20 Ca 0.00 0.58 -0.03 0.00 0.02 0.00 0.00 55.97 56.54 1mfs s LYS 20 Cb 0.00 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 1mfs s LYS 20 CO 0.00 -0.97 -0.03 -1.83 -0.92 0.00 0.00 175.35 171.61 1mfs s GLU 21 N -5.28 3.40 0.00 1.68 -1.05 -1.26 0.03 118.70 116.22 1mfs s GLU 21 Ca 0.58 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.91 1mfs s GLU 21 Cb -0.11 -2.86 0.00 0.00 -0.44 0.00 0.00 34.13 30.72 1mfs s GLU 21 CO 0.53 0.42 0.00 0.41 0.95 0.00 0.00 175.26 177.56 1mfs n GLY 22 N 3.01 4.07 3.64 -3.83 0.00 0.53 -4.89 105.19 107.72 1mfs n GLY 22 Ca -0.18 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 1mfs n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1mfs s HIS 23 N 0.00 2.53 0.40 1.61 -3.43 -1.17 -3.07 115.29 112.17 1mfs s HIS 23 Ca 0.00 -0.64 0.08 0.00 -0.80 0.00 0.00 55.06 53.70 1mfs s HIS 23 Cb 0.00 -1.79 -0.04 0.00 -1.43 0.00 0.00 32.58 29.32 1mfs s HIS 23 CO 0.00 0.40 0.27 0.96 -2.00 0.00 0.00 174.74 174.37 1mfs s ILE 24 N -2.68 2.61 0.20 -5.38 -4.36 -1.26 0.18 121.20 110.51 1mfs s ILE 24 Ca 0.36 -1.52 -0.11 0.00 -0.26 0.00 0.00 60.65 59.12 1mfs s ILE 24 Cb 0.08 -3.01 0.12 0.00 1.25 0.00 0.00 42.46 40.91 1mfs s ILE 24 CO 0.19 -0.03 1.83 0.00 0.24 0.00 0.00 174.94 177.17 1mfs h ALA 25 N 1.25 0.88 0.00 2.27 0.00 -1.87 0.12 119.26 121.91 1mfs h ALA 25 Ca -0.42 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1mfs h ALA 25 Cb 1.26 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1mfs h ALA 25 CO 0.63 0.35 0.00 -0.22 0.00 0.00 0.00 179.25 180.01 1mfs h LYS 26 N 0.93 0.00 -0.28 0.00 3.11 -1.96 -0.02 116.57 118.35 1mfs h LYS 26 Ca 0.25 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.90 1mfs h LYS 26 Cb -0.03 0.00 -0.13 0.00 -1.00 0.00 0.00 32.23 31.07 1mfs h LYS 26 CO -0.05 0.00 -0.45 -1.71 -2.81 0.00 0.00 179.45 174.44 1mfs n ASN 27 N -2.84 2.80 -4.63 4.20 5.15 0.27 -5.00 115.26 115.21 1mfs n ASN 27 Ca -0.02 -3.85 -0.42 0.00 -0.60 0.00 0.00 54.58 49.70 1mfs n ASN 27 Cb 0.12 -0.52 -0.04 0.00 -0.53 0.00 0.00 39.78 38.81 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mfs n ARG 29 N 6.33 1.59 -3.20 0.00 5.12 -1.26 -5.04 116.66 120.19 1mfs n ARG 29 Ca 0.07 -0.84 -0.09 0.00 -1.93 0.00 0.00 57.85 55.06 1mfs n ARG 29 Cb 0.48 -1.31 0.01 0.00 -1.16 0.00 0.00 32.46 30.47 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mfs n ALA 30 N -0.11 -2.24 -1.90 7.54 0.00 -1.26 -4.85 120.51 117.69 1mfs n ALA 30 Ca 0.07 0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 1mfs n ALA 30 Cb 0.36 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 1mfs n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1mfs s PRO 31 N -1.42 4.63 -0.37 0.00 0.04 -1.26 -4.96 135.00 131.66 1mfs s PRO 31 Ca 0.09 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.89 1mfs s PRO 31 Cb -0.01 -3.23 0.28 0.00 0.04 0.00 0.00 34.50 31.57 1mfs s PRO 31 CO 0.29 0.16 1.19 2.89 0.04 0.00 0.00 177.00 181.56 1mfs n ARG 32 N 1.77 0.32 -0.22 4.56 1.85 -1.26 -5.15 116.66 118.53 1mfs n ARG 32 Ca 0.01 -0.98 0.03 0.00 -1.00 0.00 0.00 57.85 55.90 1mfs n ARG 32 Cb 0.45 -0.52 -0.01 0.00 -1.05 0.00 0.00 32.46 31.34 1mfs n ARG 32 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1mfs n LYS 33 N 1.29 -0.47 -2.10 2.89 3.00 -1.26 -5.01 118.16 116.50 1mfs n LYS 33 Ca 0.02 0.34 -0.05 0.00 -0.00 0.00 0.00 58.31 58.62 1mfs n LYS 33 Cb 0.70 -0.56 0.02 0.00 0.00 0.00 0.00 35.03 35.19 1mfs n LYS 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1mfs n LYS 34 N -2.50 -0.91 -3.75 1.64 4.81 -1.26 -4.65 118.16 111.53 1mfs n LYS 34 Ca -0.00 0.27 -0.35 0.00 -0.87 0.00 0.00 58.31 57.35 1mfs n LYS 34 Cb 0.10 -2.95 -0.08 0.00 0.02 0.00 0.00 35.03 32.12 1mfs n LYS 34 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1mfs s GLY 35 N -3.17 2.05 -0.16 3.14 0.00 -1.26 -2.93 107.32 104.99 1mfs s GLY 35 Ca 0.12 -0.69 -0.29 0.00 0.00 0.00 0.00 44.72 43.86 1mfs s GLY 35 CO 0.23 0.09 1.83 0.00 0.00 0.00 0.00 173.10 175.25 1mfs n TRP 37 N 9.00 0.83 -0.10 0.00 -0.00 -1.26 -0.02 117.44 125.88 1mfs n TRP 37 Ca 0.22 -0.33 -0.17 0.00 -0.00 0.00 0.00 57.50 57.21 1mfs n TRP 37 Cb 0.44 -0.15 -0.08 0.00 -0.00 0.00 0.00 31.31 31.52 1mfs n TRP 37 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1mfs n LYS 38 N 0.56 0.47 -0.03 5.87 4.81 -1.26 -4.68 118.16 123.90 1mfs n LYS 38 Ca 0.15 0.14 0.02 0.00 -0.87 0.00 0.00 58.31 57.75 1mfs n LYS 38 Cb 0.54 -1.33 -0.10 0.00 0.02 0.00 0.00 35.03 34.16 1mfs n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1mfs n GLY 40 N 1.95 0.64 3.56 0.00 0.00 0.97 -5.02 105.19 107.29 1mfs n GLY 40 Ca -0.09 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1mfs n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mfs s LYS 41 N -1.07 3.55 -0.71 1.61 2.20 -1.14 -4.84 119.74 119.33 1mfs s LYS 41 Ca 0.00 -0.01 -0.26 0.00 -0.36 0.00 0.00 55.97 55.33 1mfs s LYS 41 Cb 0.00 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 1mfs s LYS 41 CO 0.00 -0.92 1.61 -1.83 -0.36 0.00 0.00 175.35 173.85 1mfs s GLU 42 N 2.98 2.91 0.00 4.03 1.03 -1.26 -1.28 118.70 127.10 1mfs s GLU 42 Ca 0.27 0.09 0.00 0.00 0.03 0.00 0.00 54.97 55.36 1mfs s GLU 42 Cb -0.13 -4.42 0.00 0.00 -0.80 0.00 0.00 34.13 28.77 1mfs s GLU 42 CO 0.18 -2.52 0.00 0.41 -1.33 0.00 0.00 175.26 172.00 1mfs n GLY 43 N 5.74 -0.59 3.96 -3.83 0.00 -1.15 -4.86 105.19 104.46 1mfs n GLY 43 Ca 0.16 0.36 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 1mfs n GLY 43 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1mfs s HIS 44 N 0.00 3.42 0.58 1.61 -3.43 -1.23 -4.75 115.29 111.49 1mfs s HIS 44 Ca 0.00 0.14 0.07 0.00 -0.80 0.00 0.00 55.06 54.47 1mfs s HIS 44 Cb 0.00 -1.80 0.07 0.00 -1.43 0.00 0.00 32.58 29.41 1mfs s HIS 44 CO 0.00 0.20 0.57 1.14 -2.00 0.00 0.00 174.74 174.65 1mfs s GLN 45 N -4.19 2.23 0.26 -0.38 -2.07 -1.26 -0.47 119.66 113.79 1mfs s GLN 45 Ca 0.39 -1.95 -0.05 0.00 -1.82 0.00 0.00 55.36 51.93 1mfs s GLN 45 Cb -0.09 -2.27 0.31 0.00 -1.09 0.00 0.00 33.01 29.86 1mfs s GLN 45 CO 0.33 -0.79 1.93 1.98 -1.32 0.00 0.00 175.29 177.43 1mfs h MET 46 N 0.47 1.25 0.00 9.60 1.85 -1.95 0.24 114.93 126.39 1mfs h MET 46 Ca -0.33 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 58.68 1mfs h MET 46 Cb 1.30 -0.28 0.00 0.00 0.43 0.00 0.00 31.60 33.05 1mfs h MET 46 CO 0.51 0.84 0.00 -0.22 -0.40 0.00 0.00 176.91 177.63 1mfs h LYS 47 N 1.29 0.00 -0.14 0.39 3.64 -2.00 -1.01 116.57 118.74 1mfs h LYS 47 Ca 0.35 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1mfs h LYS 47 Cb -0.13 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1mfs h LYS 47 CO -0.07 0.00 -0.07 -0.25 -2.27 0.00 0.00 179.45 176.79 1mfs n ASP 48 N -2.92 2.81 -4.54 4.20 10.43 0.24 -4.96 116.55 121.81 1mfs n ASP 48 Ca -0.00 -3.25 -0.43 0.00 2.57 0.00 0.00 54.79 53.67 1mfs n ASP 48 Cb 0.21 -0.51 -0.05 0.00 1.84 0.00 0.00 41.12 42.61 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1mfs n THR 50 N 6.18 0.00 -3.92 0.00 -1.04 -1.26 -4.81 114.28 109.43 1mfs n THR 50 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1mfs n THR 50 Cb 0.48 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1mfs n THR 50 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1mfs n GLU 51 N -0.92 0.45 -3.33 -2.82 -0.00 -1.26 -5.14 120.64 107.61 1mfs n GLU 51 Ca 0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.22 1mfs n GLU 51 Cb 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.46 1mfs n GLU 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1mfs s ARG 52 N -1.75 0.58 0.00 3.44 6.06 -1.26 -4.99 118.95 121.03 1mfs s ARG 52 Ca 0.00 -0.49 0.00 0.00 -2.50 0.00 0.00 55.73 52.74 1mfs s ARG 52 Cb 0.00 -0.51 0.00 0.00 0.06 0.00 0.00 34.95 34.50 1mfs s ARG 52 CO 0.00 -1.14 0.00 0.00 -2.50 0.00 0.00 175.30 171.66 1mfs n GLN 53 N 4.62 0.00 -1.71 5.12 10.64 -1.16 -4.31 117.38 130.57 1mfs n GLN 53 Ca 0.07 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.82 1mfs n GLN 53 Cb 0.48 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.83 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1mfs n ALA 54 N 5.99 2.73 1.33 2.61 0.00 -1.26 -4.88 120.51 127.03 1mfs n ALA 54 Ca 0.00 0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.96 1mfs n ALA 54 Cb 0.00 -2.54 0.38 0.00 0.00 0.00 0.00 19.45 17.29 1mfs n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77